2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine

C20H26N2O — CID 95123067

IUPAC2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
SMILESCO[C@@H](C)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N2O/c1-16(23-2)18-7-9-19(10-8-18)20-11-6-17(14-21-20)15-22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyBSQIXCXZCLICNI-INIZCTEOSA-N
MW310.44 g/mol
LogP4.44
Rot. Bonds5

About 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine

2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine (PubChem CID 95123067) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
PubChem CID95123067
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
SMILESCO[C@@H](C)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N2O/c1-16(23-2)18-7-9-19(10-8-18)20-11-6-17(14-21-20)15-22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyBSQIXCXZCLICNI-INIZCTEOSA-N
XLogP4.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
CID 74238216
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
CID 74247167
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
CID 138045615
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122558965
6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine (CID 95123067) is 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine is CO[C@@H](C)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1.
What is the InChIKey of 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine?
The InChIKey is BSQIXCXZCLICNI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(23-2)18-7-9-19(10-8-18)20-11-6-17(14-21-20)15-22-12-4-3-5-13-22/h6-11,14,16H,3-5,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine?
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine has a molecular weight of 310.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 95123067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).